CHEBI:4781 - emetine

Main ChEBI Ontology Automatic Xrefs
ChEBI Name emetine
ChEBI ID CHEBI:4781
Definition A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H40N2O4
Net Charge 0
Average Mass 480.63898
InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
InChIKey AUVVAXYIELKVAI-CKBKHPSWSA-N
SMILES [H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
Roles Classification
Biological Role(s): antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing emetine (CHEBI:4781) has functional parent cephaeline (CHEBI:3533)
emetine (CHEBI:4781) has parent hydride emetan (CHEBI:36380)
emetine (CHEBI:4781) has role antiprotozoal drug (CHEBI:35820)
emetine (CHEBI:4781) has role plant metabolite (CHEBI:76924)
emetine (CHEBI:4781) is a isoquinoline alkaloid (CHEBI:24921)
emetine (CHEBI:4781) is a pyridoisoquinoline (CHEBI:61692)
Incoming emetamine (CHEBI:4780) has functional parent emetine (CHEBI:4781)
IUPAC Name
6',7',10,11-tetramethoxyemetan
Synonyms Sources
cephaeline methyl ether ChemIDplus
Emetan NIST Chemistry WebBook
Emetin ChemIDplus
Emetine KEGG COMPOUND
methyl cephaeline ChemIDplus
Database Links Databases
C00001849 KNApSAcK
C09421 KEGG COMPOUND
CPD-14817 MetaCyc
Emetine Wikipedia
View more database links
Registry Numbers Types Sources
100834 Reaxys Registry Number Reaxys
100834 Beilstein Registry Number Beilstein
483-18-1 CAS Registry Number ChemIDplus
483-18-1 CAS Registry Number NIST Chemistry WebBook
6253162 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
16109351 PubMed citation CiteXplore
17094176 PubMed citation CiteXplore
Last Modified
28 July 2014